Isoquinolinium, 2-(3-sulfopropyl)-, inner salt

Base Information

• Chemical Name: Isoquinolinium, 2-(3-sulfopropyl)-, inner salt
• CAS No.: 15589-64-7
• Molecular Formula: C12H13 N O3 S
• Molecular Weight: 269.3168
• European Community (EC) Number: 239-652-8
• DSSTox Substance ID: DTXSID7065916
• Wikidata: Q81992505
• Mol file: 15589-64-7.mol

Synonyms:15589-64-7;Isoquinolinium, 2-(3-sulfopropyl)-, inner salt;2-(3-Sulphopropyl)isoquinolinium hydroxide;3-isoquinolin-2-ium-2-ylpropane-1-sulfonate;Isoquinolinium, 2-(3-sulfopropyl)-, hydroxide, inner salt;EINECS 239-652-8;DTXSID7065916;AKOS024331345

Chemical Property of Isoquinolinium, 2-(3-sulfopropyl)-, inner salt

Chemical Property:

• Melting Point: 292 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.06161445
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCS(=O)(=O)[O-]